3-(4-methoxyphenyl)-2-(triphenylmethyl)sulfanyl-propanoic acid

Systemtic Name: 3-(4-methoxyphenyl)-2-(triphenylmethyl)sulfanyl-propanoic acid Openeye Name: 3-(4-methoxyphenyl)-2-tritylsulfanyl-propanoic acid CAS Name: 3-(4-methoxyphenyl)-2-[(triphenylmethyl)thio]propanoic acid IUPAC Name: 3-(4-methoxyphenyl)-2-tritylsulfanylpropanoic acid Traditional Name: 3-(4-methoxyphenyl)-2-(tritylthio)propionic acid Formula: C29H26O3S MolecularWeight: 454.57994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)O)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CC(C(=O)O)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H26O3S/c1-32-26-19-17-22(18-20-26)21-27(28(30)31)33-29(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20,27H,21H2,1H3,(H,30,31)